Dears
It is simply, I want to add a guanidine molecules to a unit contains my
protein. What I have done, is th following
> loadAmerparams Gdm.frcmod
reading forcefield modification type file (frcmod)
reading title:
remark goes here
> loadAmberprepi Gdm.prepi
loading prep file ./gdm.prepi
> source leaprc.gaff
Loading parameters: /../../amber12/dat/leap/parm/gaff.dat
>r = loadpdb Gdm-6M.pdb
Loading PDB file: ./Gdm-6M.pdb
>source leaprc.ff12SB
Source: /../../amber12/dat/leap/cmd/leaprc.ff12SB
----- Source of /../../amber12/dat/leap/cmd/leaprc.ff12SB done
>w = loadpdb myprotein.pdb
total atoms in file: 3069
Leap added 3328 missing atoms according to residue templates:
1 Heavy
3327 H / lone pairs
then
> add w r
add: Argument #2 is type Unit must be of type: [molecule residue atom]
usage: add <unit/residue/atom> <unit/residue/atom>
There is something wrong I can not catch. please, can you help me.
thank you
said
On Sun, Feb 8, 2015 at 4:03 AM, David Case <dacase.rci.rutgers.edu> wrote:
>
>
>
>
> > On Feb 7, 2015, at 5:19 PM, Ibrahim Said <saidibrahim569.gmail.com>
> wrote:
> >
> > Please, I am trying to add the unit contains guanidine to the unit
> contains
> > my protein but I got
> > add: Argument #2 is type Unit must be of type: [molecule residue atom]
> >
> Just to expand on what Jason said..some advice for all people who post
> problems:
>
> Do not report just what you are "trying" or intending to do. Tell us what
> you actually *did*, in this case, the actual commands you typed.
>
> ...thanks....dac
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Received on Sun Feb 08 2015 - 10:30:03 PST
